(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one

C14H16N2O2 — CID 10681742

IUPAC(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
SMILESO=C1N(Cc2ccccc2)C/C(=N\O)C12CCC2
InChIInChI=1S/C14H16N2O2/c17-13-14(7-4-8-14)12(15-18)10-16(13)9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2/b15-12+
InChIKeyNJEGBIOARXKCDV-NTCAYCPXSA-N
MW244.29 g/mol
LogP2.03
Rot. Bonds2

About (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one

(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one (PubChem CID 10681742) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
PubChem CID10681742
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
SMILESO=C1N(Cc2ccccc2)C/C(=N\O)C12CCC2
InChIInChI=1S/C14H16N2O2/c17-13-14(7-4-8-14)12(15-18)10-16(13)9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2/b15-12+
InChIKeyNJEGBIOARXKCDV-NTCAYCPXSA-N
XLogP2.03
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one (CID 10681742) is (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one is O=C1N(Cc2ccccc2)C/C(=N\O)C12CCC2.
What is the InChIKey of (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one?
The InChIKey is NJEGBIOARXKCDV-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-14(7-4-8-14)12(15-18)10-16(13)9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2/b15-12+.
What are the key properties of (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one?
(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one has a molecular weight of 244.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 10681742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).